Information card for entry 4127264

Structure parameters

• Formula: C20 H48 Br N2 P4 Re
• Calculated formula: C20 H48 Br N2 P4 Re
• Title of publication: Hydrogen Bonding to a Dinitrogen Complex at Room Temperature: Impacts on N₂ Activation.
• Authors of publication: Shanahan, James P.; Szymczak, Nathaniel K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 21
• Pages of publication: 8550 - 8556
• a: 7.9408 ± 0.0003 Å
• b: 8.7181 ± 0.0003 Å
• c: 10.1314 ± 0.0003 Å
• α: 94.734 ± 0.003°
• β: 99.553 ± 0.003°
• γ: 102.843 ± 0.003°
• Cell volume: 669.13 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No